Glycoside
GD028022
Name:
NoneFormula:
C19H22O4N7ISmiles:
CNC(=O)[C@@H]1O[C@H](n2cnc3c(NCc4cccc(I)c4)nc(NC)nc32)[C@H](O)[C@H]1OAglycone:
CNc1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2Sugarmoiety:
CNC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 539.33 | Num_heavy_atoms: | 31 |
| TPSA: | 146.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD11051
Formula: C13H12N6I
Smiles:
CNc1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 379.19 | Num_heavy_atoms: | 20 |
| TPSA: | 76.3 | NumAromaticRings: | 2 |
